2-[2-[(4-aminocarbonyl-2-nitro-phenyl)amino]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[2-[(4-aminocarbonyl-2-nitro-phenyl)amino]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[2-(4-carbamoyl-2-nitro-anilino)ethyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[2-(4-carbamoyl-2-nitroanilino)ethyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[2-(4-carbamoyl-2-nitroanilino)ethyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[2-(4-carbamoyl-2-nitro-anilino)ethyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C18H13N4O7- MolecularWeight: 397.31842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])C(=O)N(C2=O)CCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])C(=O)N(C2=O)CCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O7/c19-15(23)9-2-4-13(14(8-9)22(28)29)20-5-6-21-16(24)11-3-1-10(18(26)27)7-12(11)17(21)25/h1-4,7-8,20H,5-6H2,(H2,19,23)(H,26,27)/p-1