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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)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=C1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O7/c1-14(24(30)26-13-15-7-3-2-4-8-15)34-25(31)19-12-11-18-20(21(19)27(32)33)23(29)17-10-6-5-9-16(17)22(18)28/h2-12,14H,13H2,1H3,(H,26,30)