[3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] 2-nitrobenzoate

Systemtic Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] 2-nitrobenzoate Openeye Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-methoxy-4-[5-[(2-methoxy-5-nitrophenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] ester IUPAC Name: [3-methoxy-4-[5-[(2-methoxy-5-nitrophenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[3-keto-5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-1H-quinoxalin-6-yl]-3-methoxy-phenyl] ester Formula: C33H30N4O10 MolecularWeight: 642.6121

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(N1)C=CC(=C2COC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=C(C=C(C=C4)OC(=O)C5=CC=CC=C5[N+](=O)[O-])OC)C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(N1)C=CC(=C2COC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=C(C=C(C=C4)OC(=O)C5=CC=CC=C5[N+](=O)[O-])OC)C)C

InChI

InChI=1S/C33H30N4O10/c1-33(2)32(39)35(3)30-24(18-46-29-16-19(36(40)41)10-15-27(29)44-4)21(13-14-25(30)34-33)22-12-11-20(17-28(22)45-5)47-31(38)23-8-6-7-9-26(23)37(42)43/h6-17,34H,18H2,1-5H3