4-(3-methylbutyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(3-methylbutyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-(isopentyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione CAS Name: 4-(3-methylbutyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-(3-methylbutyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-(isoamyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-14(2)11-12-22-13-17-15-7-3-4-8-16(15)20(25)23(21(17)26)18-9-5-6-10-19(18)24(27)28/h3-10,13-14,17H,11-12H2,1-2H3