[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c23-18(21-13-7-8-16-17(10-13)29-12-28-16)11-27-19(24)6-3-9-20-14-4-1-2-5-15(14)22(25)26/h1-2,4-5,7-8,10,20H,3,6,9,11-12H2,(H,21,23)