cyanomethyl 2-azanyl-5-nitro-benzoate

Systemtic Name: cyanomethyl 2-azanyl-5-nitro-benzoate Openeye Name: cyanomethyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid cyanomethyl ester Formula: C9H7N3O4 MolecularWeight: 221.16958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N3O4/c10-3-4-16-9(13)7-5-6(12(14)15)1-2-8(7)11/h1-2,5H,4,11H2