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

Systemtic Name: 3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(phenylmethyl)carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-benzyl-carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(phenylmethyl)amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylcarbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-benzyl-carbamoyl]-5-nitro-benzoic acid Formula: C23H23N5O7 MolecularWeight: 481.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O)N

InChI

InChI=1S/C23H23N5O7/c1-2-3-9-26-19(24)18(20(29)25-23(26)33)27(13-14-7-5-4-6-8-14)21(30)15-10-16(22(31)32)12-17(11-15)28(34)35/h4-8,10-12H,2-3,9,13,24H2,1H3,(H,31,32)(H,25,29,33)