[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H20N2O7 MolecularWeight: 436.4141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O7/c26-18(24-11-5-1-2-6-12-24)13-32-23(29)17-10-9-16-19(20(17)25(30)31)22(28)15-8-4-3-7-14(15)21(16)27/h3-4,7-10H,1-2,5-6,11-13H2