ethyl 3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H23N5O7 MolecularWeight: 433.41522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC)N

InChI

InChI=1S/C19H23N5O7/c1-4-6-7-23-15(20)14(16(25)21-19(23)28)22(3)17(26)11-8-12(18(27)31-5-2)10-13(9-11)24(29)30/h8-10H,4-7,20H2,1-3H3,(H,21,25,28)