4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid

Systemtic Name: 4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid Openeye Name: 2-(allylamino)-4-(2-nitroanilino)-4-oxo-butanoic acid CAS Name: 4-(2-nitroanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid IUPAC Name: 4-(2-nitroanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid Traditional Name: 2-(allylamino)-4-keto-4-(2-nitroanilino)butyric acid Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c1-2-7-14-10(13(18)19)8-12(17)15-9-5-3-4-6-11(9)16(20)21/h2-6,10,14H,1,7-8H2,(H,15,17)(H,18,19)