(3S)-7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-3-carboxylate

Systemtic Name: (3S)-7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-3-carboxylate Openeye Name: (3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-3-carboxylate CAS Name: (3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-3-carboxylate IUPAC Name: (3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-3-carboxylate Traditional Name: (3S)-7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-3-carboxylate Formula: C16H11ClN2O3 MolecularWeight: 314.72314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+][C@@H](C(=O)NC3=C2C=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)/t14-/m0/s1