[4,4-bis(azanyl)cyclohexa-2,5-dien-1-yl]-phenyl-methanone; butanoic acid

Systemtic Name: [4,4-bis(azanyl)cyclohexa-2,5-dien-1-yl]-phenyl-methanone; butanoic acid Openeye Name: butyric acid; (4,4-diaminocyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: butanoic acid; (4,4-diamino-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: butanoic acid; (4,4-diaminocyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: butyric acid; (4,4-diaminocyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C17H22N2O3 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(N)N

Isomeric SMILES

CCCC(=O)O.C1=CC=C(C=C1)C(=O)C2C=CC(C=C2)(N)N

InChI

InChI=1S/C13H14N2O.C4H8O2/c14-13(15)8-6-11(7-9-13)12(16)10-4-2-1-3-5-10;1-2-3-4(5)6/h1-9,11H,14-15H2;2-3H2,1H3,(H,5,6)