(phenylmethyl) 2-nitro-3-(phenylmethyl)imino-propanoate

Systemtic Name: (phenylmethyl) 2-nitro-3-(phenylmethyl)imino-propanoate Openeye Name: benzyl 3-benzylimino-2-nitro-propanoate CAS Name: 2-nitro-3-(phenylmethyl)iminopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-benzylimino-2-nitropropanoate Traditional Name: 3-benzylimino-2-nitro-propionic acid benzyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=CC(C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN=CC(C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4/c20-17(23-13-15-9-5-2-6-10-15)16(19(21)22)12-18-11-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2