1-[7-(2-nitrophenyl)carbonyl-3-phenyl-pyrrolo[1,2-c]pyrimidin-5-yl]ethanone

Systemtic Name: 1-[7-(2-nitrophenyl)carbonyl-3-phenyl-pyrrolo[1,2-c]pyrimidin-5-yl]ethanone Openeye Name: 1-[7-(2-nitrobenzoyl)-3-phenyl-pyrrolo[1,2-c]pyrimidin-5-yl]ethanone CAS Name: 1-[7-[(2-nitrophenyl)-oxomethyl]-3-phenyl-5-pyrrolo[1,2-c]pyrimidinyl]ethanone IUPAC Name: 1-[7-(2-nitrobenzoyl)-3-phenylpyrrolo[1,2-c]pyrimidin-5-yl]ethanone Traditional Name: 1-[7-(2-nitrobenzoyl)-3-phenyl-pyrrolo[1,2-c]pyrimidin-5-yl]ethanone Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H15N3O4/c1-14(26)17-11-21(22(27)16-9-5-6-10-19(16)25(28)29)24-13-23-18(12-20(17)24)15-7-3-2-4-8-15/h2-13H,1H3