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

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C25H17N3O8 MolecularWeight: 487.41778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=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)NC(=O)NC1=CC=CC=C1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O8/c1-13(23(31)27-25(33)26-14-7-3-2-4-8-14)36-24(32)18-12-11-17-19(20(18)28(34)35)22(30)16-10-6-5-9-15(16)21(17)29/h2-13H,1H3,(H2,26,27,31,33)