2-azanyl-5-[(5-cyano-2-nitro-naphthalen-1-yl)amino]pentanoic acid

Systemtic Name: 2-azanyl-5-[(5-cyano-2-nitro-naphthalen-1-yl)amino]pentanoic acid Openeye Name: 2-amino-5-[(5-cyano-2-nitro-1-naphthyl)amino]pentanoic acid CAS Name: 2-amino-5-[(5-cyano-2-nitro-1-naphthalenyl)amino]pentanoic acid IUPAC Name: 2-amino-5-[(5-cyano-2-nitronaphthalen-1-yl)amino]pentanoic acid Traditional Name: 2-amino-5-[(5-cyano-2-nitro-1-naphthyl)amino]valeric acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4/c17-9-10-3-1-4-12-11(10)6-7-14(20(23)24)15(12)19-8-2-5-13(18)16(21)22/h1,3-4,6-7,13,19H,2,5,8,18H2,(H,21,22)