2-diethylaminoethyl 4-[(4,5-dicyano-2-nitro-phenyl)amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(4,5-dicyano-2-nitro-phenyl)amino]benzoate Openeye Name: 2-diethylaminoethyl 4-(4,5-dicyano-2-nitro-anilino)benzoate CAS Name: 4-(4,5-dicyano-2-nitroanilino)benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(4,5-dicyano-2-nitroanilino)benzoate Traditional Name: 4-(4,5-dicyano-2-nitro-anilino)benzoic acid 2-diethylaminoethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-3-25(4-2)9-10-30-21(27)15-5-7-18(8-6-15)24-19-11-16(13-22)17(14-23)12-20(19)26(28)29/h5-8,11-12,24H,3-4,9-10H2,1-2H3