7-chloranyl-5-phenyl-1,2-dihydro-1,4-benzodiazepin-3-one; 4-methoxybenzoic acid

Systemtic Name: 7-chloranyl-5-phenyl-1,2-dihydro-1,4-benzodiazepin-3-one; 4-methoxybenzoic acid Openeye Name: 7-chloro-5-phenyl-1,2-dihydro-1,4-benzodiazepin-3-one; 4-methoxybenzoic acid CAS Name: 7-chloro-5-phenyl-1,2-dihydro-1,4-benzodiazepin-3-one; 4-methoxybenzoic acid IUPAC Name: 7-chloro-5-phenyl-1,2-dihydro-1,4-benzodiazepin-3-one; 4-methoxybenzoic acid Traditional Name: 7-chloro-5-phenyl-1,2-dihydro-1,4-benzodiazepin-3-one; p-anisic acid Formula: C23H19ClN2O4 MolecularWeight: 422.86096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)O.C1C(=O)N=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)O.C1C(=O)N=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C15H11ClN2O.C8H8O3/c16-11-6-7-13-12(8-11)15(18-14(19)9-17-13)10-4-2-1-3-5-10;1-11-7-4-2-6(3-5-7)8(9)10/h1-8,17H,9H2;2-5H,1H3,(H,9,10)