5-(aminocarbonylamino)-2-(3-cyanophenoxy)-4-nitro-3-[(phenylmethyl)amino]-6-pyrimidin-2-yloxy-benzoic acid

Systemtic Name: 5-(aminocarbonylamino)-2-(3-cyanophenoxy)-4-nitro-3-[(phenylmethyl)amino]-6-pyrimidin-2-yloxy-benzoic acid Openeye Name: 3-(benzylamino)-2-(3-cyanophenoxy)-4-nitro-6-pyrimidin-2-yloxy-5-ureido-benzoic acid CAS Name: 5-(carbamoylamino)-2-(3-cyanophenoxy)-4-nitro-3-[(phenylmethyl)amino]-6-(2-pyrimidinyloxy)benzoic acid IUPAC Name: 3-(benzylamino)-5-(carbamoylamino)-2-(3-cyanophenoxy)-4-nitro-6-pyrimidin-2-yloxybenzoic acid Traditional Name: 3-(benzylamino)-2-(3-cyanophenoxy)-4-nitro-6-(2-pyrimidyloxy)-5-ureido-benzoic acid Formula: C26H19N7O7 MolecularWeight: 541.47176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(C(=C2[N+](=O)[O-])NC(=O)N)OC3=NC=CC=N3)C(=O)O)OC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(C(=C2[N+](=O)[O-])NC(=O)N)OC3=NC=CC=N3)C(=O)O)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H19N7O7/c27-13-16-8-4-9-17(12-16)39-22-18(24(34)35)23(40-26-29-10-5-11-30-26)20(32-25(28)36)21(33(37)38)19(22)31-14-15-6-2-1-3-7-15/h1-12,31H,14H2,(H,34,35)(H3,28,32,36)