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

Systemtic Name: 1-[4-[(E)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]phenyl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[4-[(E)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]phenyl]urea CAS Name: 1-[4-[(E)-3-[4-(methylamino)-3-nitrophenyl]-1-oxoprop-2-enyl]phenyl]-3-propan-2-ylurea IUPAC Name: 1-[4-[(E)-3-[4-(methylamino)-3-nitrophenyl]prop-2-enoyl]phenyl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[4-[(E)-3-[4-(methylamino)-3-nitro-phenyl]acryloyl]phenyl]urea Formula: C20H22N4O4 MolecularWeight: 382.41308

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-13(2)22-20(26)23-16-8-6-15(7-9-16)19(25)11-5-14-4-10-17(21-3)18(12-14)24(27)28/h4-13,21H,1-3H3,(H2,22,23,26)/b11-5+