(E)-3-(2-chloranyl-5-pyridin-2-yl-4,5-dihydro-1H-1,4-benzodiazepin-3-yl)-3-methoxy-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-(2-chloranyl-5-pyridin-2-yl-4,5-dihydro-1H-1,4-benzodiazepin-3-yl)-3-methoxy-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[2-chloro-5-(2-pyridyl)-4,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2-chloro-5-(2-pyridinyl)-4,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(2-chloro-5-pyridin-2-yl-4,5-dihydro-1H-1,4-benzodiazepin-3-yl)-3-methoxy-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2-chloro-5-(2-pyridyl)-4,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methyl-acrylic acid Formula: C19H18ClN3O3 MolecularWeight: 371.81752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=C(NC2=CC=CC=C2C(N1)C3=CC=CC=N3)Cl)OC)C(=O)O

Isomeric SMILES

C/C(=C(/C1=C(NC2=CC=CC=C2C(N1)C3=CC=CC=N3)Cl)\OC)/C(=O)O

InChI

InChI=1S/C19H18ClN3O3/c1-11(19(24)25)17(26-2)16-18(20)22-13-8-4-3-7-12(13)15(23-16)14-9-5-6-10-21-14/h3-10,15,22-23H,1-2H3,(H,24,25)/b17-11+