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

Systemtic Name: ethyl 4-[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H19N7O6 MolecularWeight: 417.37606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O6/c1-2-30-17(25)22-8-6-21(7-9-22)16-14(24(28)29)15(18-11-19-16)20-12-4-3-5-13(10-12)23(26)27/h3-5,10-11H,2,6-9H2,1H3,(H,18,19,20)