[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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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=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C19H18N4O5/c1-3-17(18(24)22-15-9-13(23(26)27)6-4-11(15)2)28-19(25)12-5-7-14-16(8-12)21-10-20-14/h4-10,17H,3H2,1-2H3,(H,20,21)(H,22,24)