4-methyl-3-[3-[(4-nitro-2-oxidanyl-phenyl)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-methyl-3-[3-[(4-nitro-2-oxidanyl-phenyl)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(2-hydroxy-4-nitro-anilino)-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-(2-hydroxy-4-nitroanilino)-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(2-hydroxy-4-nitroanilino)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-(2-hydroxy-4-nitro-anilino)-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C18H15N3O7 MolecularWeight: 385.3276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H15N3O7/c1-9-2-3-10(18(25)26)6-14(9)20-16(23)8-13(17(20)24)19-12-5-4-11(21(27)28)7-15(12)22/h2-7,13,19,22H,8H2,1H3,(H,25,26)