ethyl 4-[3-[(E)-[(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinylidene]methyl]pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-[(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinylidene]methyl]pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-[(6-amino-5-nitro-pyrimidin-4-yl)hydrazono]methyl]pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(E)-[(6-amino-5-nitro-4-pyrimidinyl)hydrazinylidene]methyl]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]pyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(E)-[(6-amino-5-nitro-pyrimidin-4-yl)hydrazono]methyl]pyrrolidino]benzoic acid ethyl ester Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCC(C2)C=NNC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCC(C2)/C=N/NC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C18H21N7O4/c1-2-29-18(26)13-3-5-14(6-4-13)24-8-7-12(10-24)9-22-23-17-15(25(27)28)16(19)20-11-21-17/h3-6,9,11-12H,2,7-8,10H2,1H3,(H3,19,20,21,23)/b22-9+