3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H16N4O6/c1-28-15-7-6-11(22(26)27)10-14(15)19-16(23)8-9-21-18(25)13-5-3-2-4-12(13)17(24)20-21/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,24)