(2-cyanophenyl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (2-cyanophenyl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (2-cyanophenyl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-cyanobenzyl) ester Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O4/c16-8-11-3-1-2-4-12(11)9-22-15(19)10-5-6-13(17)14(7-10)18(20)21/h1-7H,9,17H2