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

Systemtic Name: 2-[2-[(2-aminocarbonyl-4-nitro-phenyl)amino]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-(2-carbamoyl-4-nitro-anilino)ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[2-(2-carbamoyl-4-nitroanilino)ethyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[2-(2-carbamoyl-4-nitroanilino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[2-(2-carbamoyl-4-nitro-anilino)ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C18H14N4O7 MolecularWeight: 398.32636

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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)[N+](=O)[O-])C(=O)N

Isomeric SMILES

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

InChI

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