ethyl 4-[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(3-acetylanilino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H22N6O5 MolecularWeight: 414.41518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O5/c1-3-30-19(27)24-9-7-23(8-10-24)18-16(25(28)29)17(20-12-21-18)22-15-6-4-5-14(11-15)13(2)26/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,21,22)