ethyl 3,5-dimethyl-4-[2-[(4-nitrophenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[(4-nitrophenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-(4-nitroanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-(4-nitroanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(4-nitroanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-(4-nitroanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O4/c1-4-28-18(25)17-11(2)16(12(3)21-17)15-9-10-20-19(23-15)22-13-5-7-14(8-6-13)24(26)27/h5-10,21H,4H2,1-3H3,(H,20,22,23)