1-methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazoline-2,4-dione

Systemtic Name: 1-methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]quinazoline-2,4-dione Openeye Name: 1-methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]quinazoline-2,4-dione CAS Name: 1-methyl-3-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]quinazoline-2,4-dione IUPAC Name: 1-methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione Traditional Name: 3-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-1-methyl-quinazoline-2,4-quinone Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-22-18-5-3-2-4-17(18)20(28)25(21(22)29)14-19(27)24-12-10-23(11-13-24)15-6-8-16(9-7-15)26(30)31/h2-9H,10-14H2,1H3