4-(4-nitrophenyl)butyl 2-[azanyl-(3-cyanophenyl)amino]ethanoate

Systemtic Name: 4-(4-nitrophenyl)butyl 2-[azanyl-(3-cyanophenyl)amino]ethanoate Openeye Name: 4-(4-nitrophenyl)butyl 2-(N-amino-3-cyano-anilino)acetate CAS Name: 2-(N-amino-3-cyanoanilino)acetic acid 4-(4-nitrophenyl)butyl ester IUPAC Name: 4-(4-nitrophenyl)butyl 2-(N-amino-3-cyanoanilino)acetate Traditional Name: 2-(N-amino-3-cyano-anilino)acetic acid 4-(4-nitrophenyl)butyl ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CC(=O)OCCCCC2=CC=C(C=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N(CC(=O)OCCCCC2=CC=C(C=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C19H20N4O4/c20-13-16-5-3-6-18(12-16)22(21)14-19(24)27-11-2-1-4-15-7-9-17(10-8-15)23(25)26/h3,5-10,12H,1-2,4,11,14,21H2