(E)-5-methyl-6-(5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-enoic acid

Systemtic Name: (E)-5-methyl-6-(5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-enoic acid Openeye Name: (E)-5-methyl-6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-enoic acid CAS Name: (E)-5-methyl-6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)-5-hexenoic acid IUPAC Name: (E)-5-methyl-6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-enoic acid Traditional Name: (E)-6-(5-keto-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)-5-methyl-hex-5-enoic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC2=C1NCCNC2=O)CCCC(=O)O

Isomeric SMILES

C/C(=C\C1=CC=CC2=C1NCCNC2=O)/CCCC(=O)O

InChI

InChI=1S/C16H20N2O3/c1-11(4-2-7-14(19)20)10-12-5-3-6-13-15(12)17-8-9-18-16(13)21/h3,5-6,10,17H,2,4,7-9H2,1H3,(H,18,21)(H,19,20)/b11-10+