(3S)-3-morpholin-4-ium-4-yl-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-morpholin-4-ium-4-yl-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-morpholin-4-ium-4-yl-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (3S)-3-(4-morpholin-4-iumyl)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (3S)-3-morpholin-4-ium-4-yl-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (3S)-4-keto-3-morpholin-4-ium-4-yl-4-(3-nitroanilino)butyrate Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(=O)[O-])C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1[C@@H](CC(=O)[O-])C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c18-13(19)9-12(16-4-6-23-7-5-16)14(20)15-10-2-1-3-11(8-10)17(21)22/h1-3,8,12H,4-7,9H2,(H,15,20)(H,18,19)/t12-/m0/s1