1-[4-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenyl]-3-propan-2-yl-urea

Systemtic Name: 1-[4-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenyl]-3-propan-2-yl-urea Openeye Name: 1-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]phenyl]-3-isopropyl-urea CAS Name: 1-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]phenyl]-3-propan-2-ylurea IUPAC Name: 1-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]phenyl]-3-propan-2-ylurea Traditional Name: 1-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acryloyl]phenyl]-3-isopropyl-urea Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-12(2)21-20(26)22-15-7-5-14(6-8-15)17(24)9-4-13-10-16(23(27)28)19(25)18(11-13)29-3/h4-12,25H,1-3H3,(H2,21,22,26)/b9-4+