azanyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-nitro-benzoate

Systemtic Name: azanyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-nitro-benzoate Openeye Name: amino 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-nitro-benzoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-nitrobenzoic acid amino ester IUPAC Name: amino 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-nitrobenzoate Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-3-nitro-benzoic acid amino ester Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CC3=C(C=CC=C3[N+](=O)[O-])C(=O)ON

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CC3=C(C=CC=C3[N+](=O)[O-])C(=O)ON

InChI

InChI=1S/C21H15N3O4/c22-13-16-4-1-2-5-17(16)15-10-8-14(9-11-15)12-19-18(21(25)28-23)6-3-7-20(19)24(26)27/h1-11H,12,23H2