[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C35H29N5O7 MolecularWeight: 631.63406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C35H29N5O7/c1-21-30(33(41)38(36-21)25-12-6-4-7-13-25)32(31-22(2)37-39(34(31)42)26-14-8-5-9-15-26)23-17-18-28(29(20-23)46-3)47-35(43)24-11-10-16-27(19-24)40(44)45/h4-20,32,36-37H,1-3H3