sodium; 2-methylpropyl ethanoate; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one

Systemtic Name: sodium; 2-methylpropyl ethanoate; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Openeye Name: sodium; isobutyl acetate; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one CAS Name: sodium; acetic acid 2-methylpropyl ester; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one IUPAC Name: sodium; 2-methylpropyl acetate; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Traditional Name: sodium; acetic acid isobutyl ester; 5-keto-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Formula: C21H24N2NaO4+ MolecularWeight: 391.41603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)[CH2-].C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC(C)COC(=O)[CH2-].C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C15H13N2O2.C6H11O2.Na/c18-14-10-17(19)13-9-5-4-8-12(13)16-15(14)11-6-2-1-3-7-11;1-5(2)4-8-6(3)7;/h1-9,15-16H,10H2;5H,3-4H2,1-2H3;/q+1;-1;+1