(2S)-2-[bis[(4-nitrophenyl)methyl]amino]-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-[bis[(4-nitrophenyl)methyl]amino]-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: (2S)-2-[bis[(4-nitrophenyl)methyl]amino]-4-hydroxy-4-oxo-butanoate CAS Name: (2S)-2-[bis[(4-nitrophenyl)methyl]amino]-4-hydroxy-4-oxobutanoate IUPAC Name: (2S)-2-[bis[(4-nitrophenyl)methyl]amino]-4-hydroxy-4-oxobutanoate Traditional Name: (2S)-2-[bis(4-nitrobenzyl)amino]-4-hydroxy-4-keto-butyrate Formula: C18H16N3O8- MolecularWeight: 402.33494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC2=CC=C(C=C2)[N+](=O)[O-])C(CC(=O)O)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN(CC2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CC(=O)O)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O8/c22-17(23)9-16(18(24)25)19(10-12-1-5-14(6-2-12)20(26)27)11-13-3-7-15(8-4-13)21(28)29/h1-8,16H,9-11H2,(H,22,23)(H,24,25)/p-1/t16-/m0/s1