methyl 5-[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate

Systemtic Name: methyl 5-[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate Openeye Name: methyl 5-[6-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate CAS Name: 5-[[6-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-nitro-4-pyrimidinyl]oxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-nitropyrimidin-4-yl]oxypyridine-3-carboxylate Traditional Name: 5-[6-[2-[(2-amino-2-keto-ethyl)carbamoyl]pyrrolidino]-5-nitro-pyrimidin-4-yl]oxynicotinic acid methyl ester Formula: C18H19N7O7 MolecularWeight: 445.38616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C18H19N7O7/c1-31-18(28)10-5-11(7-20-6-10)32-17-14(25(29)30)15(22-9-23-17)24-4-2-3-12(24)16(27)21-8-13(19)26/h5-7,9,12H,2-4,8H2,1H3,(H2,19,26)(H,21,27)