(2S,3S)-2-azanyl-3-[(4-nitronaphthalen-1-yl)methyl]butanedioic acid

Systemtic Name: (2S,3S)-2-azanyl-3-[(4-nitronaphthalen-1-yl)methyl]butanedioic acid Openeye Name: (2S,3S)-2-amino-3-[(4-nitro-1-naphthyl)methyl]butanedioic acid CAS Name: (2S,3S)-2-amino-3-[(4-nitro-1-naphthalenyl)methyl]butanedioic acid IUPAC Name: (2S,3S)-2-amino-3-[(4-nitronaphthalen-1-yl)methyl]butanedioic acid Traditional Name: (2S,3S)-2-amino-3-[(4-nitro-1-naphthyl)methyl]succinic acid Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])CC(C(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])C[C@@H]([C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C15H14N2O6/c16-13(15(20)21)11(14(18)19)7-8-5-6-12(17(22)23)10-4-2-1-3-9(8)10/h1-6,11,13H,7,16H2,(H,18,19)(H,20,21)/t11-,13-/m0/s1