[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4-azanylbenzoate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4-azanylbenzoate Openeye Name: 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C18H19N3O5/c1-3-16(26-18(23)12-5-7-13(19)8-6-12)17(22)20-15-10-14(21(24)25)9-4-11(15)2/h4-10,16H,3,19H2,1-2H3,(H,20,22)