3-(aminomethyl)-4-nitro-benzamide; 3-(aminomethyl)-4-nitro-benzenecarbonitrile

Systemtic Name: 3-(aminomethyl)-4-nitro-benzamide; 3-(aminomethyl)-4-nitro-benzenecarbonitrile Openeye Name: 3-(aminomethyl)-4-nitro-benzamide; 3-(aminomethyl)-4-nitro-benzonitrile CAS Name: 3-(aminomethyl)-4-nitrobenzamide; 3-(aminomethyl)-4-nitrobenzonitrile IUPAC Name: 3-(aminomethyl)-4-nitrobenzamide; 3-(aminomethyl)-4-nitrobenzonitrile Traditional Name: 3-(aminomethyl)-4-nitro-benzamide; 3-(aminomethyl)-4-nitro-benzonitrile Formula: C16H16N6O5 MolecularWeight: 372.33544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CN)[N+](=O)[O-].C1=CC(=C(C=C1C(=O)N)CN)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)CN)[N+](=O)[O-].C1=CC(=C(C=C1C(=O)N)CN)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O3.C8H7N3O2/c9-4-6-3-5(8(10)12)1-2-7(6)11(13)14;9-4-6-1-2-8(11(12)13)7(3-6)5-10/h1-3H,4,9H2,(H2,10,12);1-3H,5,10H2