4-(2-hydroxyethyl)-2,6-dimethyl-3-(3-nitrophenyl)-4H-phthalazin-1-one

Systemtic Name: 4-(2-hydroxyethyl)-2,6-dimethyl-3-(3-nitrophenyl)-4H-phthalazin-1-one Openeye Name: 4-(2-hydroxyethyl)-2,6-dimethyl-3-(3-nitrophenyl)-4H-phthalazin-1-one CAS Name: 4-(2-hydroxyethyl)-2,6-dimethyl-3-(3-nitrophenyl)-4H-phthalazin-1-one IUPAC Name: 4-(2-hydroxyethyl)-2,6-dimethyl-3-(3-nitrophenyl)-4H-phthalazin-1-one Traditional Name: 4-(2-hydroxyethyl)-2,6-dimethyl-3-(3-nitrophenyl)-4H-phthalazin-1-one Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(N(C2CCO)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(N(C2CCO)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N3O4/c1-12-6-7-15-16(10-12)17(8-9-22)20(19(2)18(15)23)13-4-3-5-14(11-13)21(24)25/h3-7,10-11,17,22H,8-9H2,1-2H3