(E)-4-[[(3R)-2-methylidene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[(3R)-2-methylidene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[(3R)-2-methylene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(3R)-2-methylene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[(3R)-2-methylidene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[(3R)-2-methylene-3-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl]amino]but-2-enoate Formula: C20H16N3O3- MolecularWeight: 346.35934

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(=NC2=CC=CC=C2N1)NC(=O)C=CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=C1[C@H](C(=NC2=CC=CC=C2N1)NC(=O)/C=C/C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3/c1-13-19(14-7-3-2-4-8-14)20(23-17(24)11-12-18(25)26)22-16-10-6-5-9-15(16)21-13/h2-12,19,21H,1H2,(H,25,26)(H,22,23,24)/p-1/b12-11+/t19-/m0/s1