(phenylmethyl) 2-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanoate Openeye Name: benzyl 2-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]acetate CAS Name: 2-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]acetate Traditional Name: 2-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]acetic acid benzyl ester Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O5/c17-13-6-12(16(21)14(7-13)19(22)23)8-18-9-15(20)24-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2