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

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-yl)benzoic acid [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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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)C3=NC=CN3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=CC=C(C=C2)C3=NC=CN3

InChI

InChI=1S/C21H20N4O5/c1-3-18(20(26)24-17-12-16(25(28)29)9-4-13(17)2)30-21(27)15-7-5-14(6-8-15)19-22-10-11-23-19/h4-12,18H,3H2,1-2H3,(H,22,23)(H,24,26)