4-[[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[(1S)-2-keto-1-methyl-2-(4-nitroanilino)ethyl]amino]butyric acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)O

InChI

InChI=1S/C13H15N3O6/c1-8(14-11(17)6-7-12(18)19)13(20)15-9-2-4-10(5-3-9)16(21)22/h2-5,8H,6-7H2,1H3,(H,14,17)(H,15,20)(H,18,19)/t8-/m0/s1