(4-cyanophenyl)methyl 2-azanyl-5-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-azanyl-5-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)C#N

InChI

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