3-azanyl-1-methyl-5-phenyl-3H-1-benzazepin-2-one; 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid

Systemtic Name: 3-azanyl-1-methyl-5-phenyl-3H-1-benzazepin-2-one; 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid Openeye Name: 3-amino-1-methyl-5-phenyl-3H-1-benzazepin-2-one; 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid CAS Name: 3-amino-1-methyl-5-phenyl-3H-1-benzazepin-2-one; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid IUPAC Name: 3-amino-1-methyl-5-phenyl-3H-1-benzazepin-2-one; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid Traditional Name: 3-amino-1-methyl-5-phenyl-3H-1-benzazepin-2-one; 2,3-dibenzoyl-2,3-dihydroxy-succinic acid Formula: C35H30N2O9 MolecularWeight: 622.6207

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC(C1=O)N)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)C(C(=O)O)(C(C(=O)C2=CC=CC=C2)(C(=O)O)O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC(C1=O)N)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)C(C(=O)O)(C(C(=O)C2=CC=CC=C2)(C(=O)O)O)O

InChI

InChI=1S/C18H14O8.C17H16N2O/c19-13(11-7-3-1-4-8-11)17(25,15(21)22)18(26,16(23)24)14(20)12-9-5-2-6-10-12;1-19-16-10-6-5-9-13(16)14(11-15(18)17(19)20)12-7-3-2-4-8-12/h1-10,25-26H,(H,21,22)(H,23,24);2-11,15H,18H2,1H3