[(2S)-1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(2S)-1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-2-[(9,10-dioxo-1-anthryl)amino]-1-methyl-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(2S)-1-[(9,10-dioxo-1-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-2-[(9,10-diketo-1-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O[C@@H](C)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H18N2O7/c1-13-7-5-12-19(27(32)33)20(13)25(31)34-14(2)24(30)26-18-11-6-10-17-21(18)23(29)16-9-4-3-8-15(16)22(17)28/h3-12,14H,1-2H3,(H,26,30)/t14-/m0/s1