[(2S)-1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H16N2O7 MolecularWeight: 444.39304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O7/c1-13(33-24(30)18-8-4-5-9-20(18)26(31)32)23(29)25-14-10-11-17-19(12-14)22(28)16-7-3-2-6-15(16)21(17)27/h2-13H,1H3,(H,25,29)/t13-/m0/s1