[3-[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl] ethanoate

Systemtic Name: [3-[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl] ethanoate Openeye Name: [3-[6-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl] acetate CAS Name: acetic acid [3-[[6-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-nitro-4-pyrimidinyl]oxy]phenyl] ester IUPAC Name: [3-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-nitropyrimidin-4-yl]oxyphenyl] acetate Traditional Name: acetic acid [3-[6-[2-[(2-amino-2-keto-ethyl)carbamoyl]pyrrolidino]-5-nitro-pyrimidin-4-yl]oxyphenyl] ester Formula: C19H20N6O7 MolecularWeight: 444.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C19H20N6O7/c1-11(26)31-12-4-2-5-13(8-12)32-19-16(25(29)30)17(22-10-23-19)24-7-3-6-14(24)18(28)21-9-15(20)27/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H2,20,27)(H,21,28)