4-azanyl-3-nitro-benzenecarbonitrile; 4-methoxy-2-nitro-aniline

Systemtic Name: 4-azanyl-3-nitro-benzenecarbonitrile; 4-methoxy-2-nitro-aniline Openeye Name: 4-amino-3-nitro-benzonitrile; 4-methoxy-2-nitro-aniline CAS Name: 4-amino-3-nitrobenzonitrile; 4-methoxy-2-nitroaniline IUPAC Name: 4-amino-3-nitrobenzonitrile; 4-methoxy-2-nitroaniline Traditional Name: 4-amino-3-nitro-benzonitrile; (4-methoxy-2-nitro-phenyl)amine Formula: C14H13N5O5 MolecularWeight: 331.28352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N)[N+](=O)[O-].C1=CC(=C(C=C1C#N)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=C(C=C1)N)[N+](=O)[O-].C1=CC(=C(C=C1C#N)[N+](=O)[O-])N

InChI

InChI=1S/C7H5N3O2.C7H8N2O3/c8-4-5-1-2-6(9)7(3-5)10(11)12;1-12-5-2-3-6(8)7(4-5)9(10)11/h1-3H,9H2;2-4H,8H2,1H3