dipropan-2-yl 3-(3-nitrophenyl)carbonylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate

Systemtic Name: dipropan-2-yl 3-(3-nitrophenyl)carbonylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate Openeye Name: diisopropyl 3-(3-nitrobenzoyl)pyrrolo[2,1-a]phthalazine-1,2-dicarboxylate CAS Name: 3-[(3-nitrophenyl)-oxomethyl]pyrrolo[2,1-a]phthalazine-1,2-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-(3-nitrobenzoyl)pyrrolo[2,1-a]phthalazine-1,2-dicarboxylate Traditional Name: 3-(3-nitrobenzoyl)pyrrolo[2,1-a]phthalazine-1,2-dicarboxylic acid diisopropyl ester Formula: C26H23N3O7 MolecularWeight: 489.47672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1C(=O)OC(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1C(=O)OC(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O7/c1-14(2)35-25(31)20-21(26(32)36-15(3)4)23(24(30)16-9-7-10-18(12-16)29(33)34)28-22(20)19-11-6-5-8-17(19)13-27-28/h5-15H,1-4H3