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

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c25-20(23-17-11-10-15-5-3-6-16(15)13-17)14-29-21(26)9-4-12-22-18-7-1-2-8-19(18)24(27)28/h1-2,7-8,10-11,13,22H,3-6,9,12,14H2,(H,23,25)