(phenylmethyl) 2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanoate Openeye Name: benzyl 2-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]acetate CAS Name: 2-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]acetate Traditional Name: 2-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]acetic acid benzyl ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5/c19-15-7-6-14(18(21)22)8-13(15)9-17-10-16(20)23-11-12-4-2-1-3-5-12/h1-9,17H,10-11H2