[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-[[(1S)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1CC1)NC(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-12(13-8-9-13)19-16(21)11-25-17(22)7-4-10-18-14-5-2-3-6-15(14)20(23)24/h2-3,5-6,12-13,18H,4,7-11H2,1H3,(H,19,21)/t12-/m0/s1