4-azanyl-3-nitro-benzenecarbonitrile; 2-nitroaniline

Systemtic Name: 4-azanyl-3-nitro-benzenecarbonitrile; 2-nitroaniline Openeye Name: 4-amino-3-nitro-benzonitrile; 2-nitroaniline CAS Name: 4-amino-3-nitrobenzonitrile; 2-nitroaniline IUPAC Name: 4-amino-3-nitrobenzonitrile; 2-nitroaniline Traditional Name: 4-amino-3-nitro-benzonitrile; (2-nitrophenyl)amine Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5N3O2.C6H6N2O2/c8-4-5-1-2-6(9)7(3-5)10(11)12;7-5-3-1-2-4-6(5)8(9)10/h1-3H,9H2;1-4H,7H2