N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[(E)-3-(3-nitrophenyl)acryloyl]amino]carbamoyl]phenyl]valeramide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-2-3-7-19(26)22-17-11-9-16(10-12-17)21(28)24-23-20(27)13-8-15-5-4-6-18(14-15)25(29)30/h4-6,8-14H,2-3,7H2,1H3,(H,22,26)(H,23,27)(H,24,28)/b13-8+