4-[[3-(2-aminophenyl)-3-oxidanylidene-propyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[3-(2-aminophenyl)-3-oxidanylidene-propyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[3-(2-aminophenyl)-3-oxo-propyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[3-(2-aminophenyl)-3-oxopropyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[3-(2-aminophenyl)-3-oxopropyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[3-(2-aminophenyl)-3-keto-propyl]amino]-3-nitro-benzonitrile Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)CCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N4O3/c17-10-11-5-6-14(15(9-11)20(22)23)19-8-7-16(21)12-3-1-2-4-13(12)18/h1-6,9,19H,7-8,18H2