(E)-N-(2-aminophenyl)-3-[2-[(4-nitrophenyl)methylamino]pyrimidin-5-yl]prop-2-enamide

Systemtic Name: (E)-N-(2-aminophenyl)-3-[2-[(4-nitrophenyl)methylamino]pyrimidin-5-yl]prop-2-enamide Openeye Name: (E)-N-(2-aminophenyl)-3-[2-[(4-nitrophenyl)methylamino]pyrimidin-5-yl]prop-2-enamide CAS Name: (E)-N-(2-aminophenyl)-3-[2-[(4-nitrophenyl)methylamino]-5-pyrimidinyl]-2-propenamide IUPAC Name: (E)-N-(2-aminophenyl)-3-[2-[(4-nitrophenyl)methylamino]pyrimidin-5-yl]prop-2-enamide Traditional Name: (E)-N-(2-aminophenyl)-3-[2-[(4-nitrobenzyl)amino]pyrimidin-5-yl]acrylamide Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C=CC2=CN=C(N=C2)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)/C=C/C2=CN=C(N=C2)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O3/c21-17-3-1-2-4-18(17)25-19(27)10-7-15-12-23-20(24-13-15)22-11-14-5-8-16(9-6-14)26(28)29/h1-10,12-13H,11,21H2,(H,25,27)(H,22,23,24)/b10-7+