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

Systemtic Name: ethyl 3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-butyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-butyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-butylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-butyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H29N5O7 MolecularWeight: 475.49496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O7/c1-4-7-9-25(17-18(23)26(10-8-5-2)22(31)24-19(17)28)20(29)14-11-15(21(30)34-6-3)13-16(12-14)27(32)33/h11-13H,4-10,23H2,1-3H3,(H,24,28,31)