methyl 2-[(4-isocyano-2-nitro-phenyl)methyl]benzoate

Systemtic Name: methyl 2-[(4-isocyano-2-nitro-phenyl)methyl]benzoate Openeye Name: methyl 2-[(4-isocyano-2-nitro-phenyl)methyl]benzoate CAS Name: 2-[(4-isocyano-2-nitrophenyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-isocyano-2-nitrophenyl)methyl]benzoate Traditional Name: 2-(4-isocyano-2-nitro-benzyl)benzoic acid methyl ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CC2=C(C=C(C=C2)[N+]#[C-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1CC2=C(C=C(C=C2)[N+]#[C-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c1-17-13-8-7-12(15(10-13)18(20)21)9-11-5-3-4-6-14(11)16(19)22-2/h3-8,10H,9H2,2H3