[1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H17ClN2O7 MolecularWeight: 492.86468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H17ClN2O7/c1-13(24(31)27-12-14-6-2-5-9-19(14)26)35-25(32)18-11-10-17-20(21(18)28(33)34)23(30)16-8-4-3-7-15(16)22(17)29/h2-11,13H,12H2,1H3,(H,27,31)