2-[(4-cyano-2-nitro-phenyl)amino]butyl ethanoate

Systemtic Name: 2-[(4-cyano-2-nitro-phenyl)amino]butyl ethanoate Openeye Name: 2-(4-cyano-2-nitro-anilino)butyl acetate CAS Name: acetic acid 2-(4-cyano-2-nitroanilino)butyl ester IUPAC Name: 2-(4-cyano-2-nitroanilino)butyl acetate Traditional Name: acetic acid 2-(4-cyano-2-nitro-anilino)butyl ester Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC(COC(=O)C)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-3-11(8-20-9(2)17)15-12-5-4-10(7-14)6-13(12)16(18)19/h4-6,11,15H,3,8H2,1-2H3