1-(pentylamino)but-3-en-2-yl 4-nitrobenzoate chloride

Systemtic Name: 1-(pentylamino)but-3-en-2-yl 4-nitrobenzoate chloride Openeye Name: 1-[(pentylamino)methyl]allyl 4-nitrobenzoate chloride CAS Name: 4-nitrobenzoic acid 1-(pentylamino)but-3-en-2-yl ester chloride IUPAC Name: 1-(pentylamino)but-3-en-2-yl 4-nitrobenzoate chloride Traditional Name: 4-nitrobenzoic acid 1-[(amylamino)methyl]allyl ester chloride Formula: C16H22ClN2O4- MolecularWeight: 341.80988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC(C=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCCNCC(C=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H22N2O4.ClH/c1-3-5-6-11-17-12-15(4-2)22-16(19)13-7-9-14(10-8-13)18(20)21;/h4,7-10,15,17H,2-3,5-6,11-12H2,1H3;1H/p-1