4-(prop-2-enoylamino)butyl 3-nitro-2-[4-(prop-2-enoylamino)butoxy]benzoate

Systemtic Name: 4-(prop-2-enoylamino)butyl 3-nitro-2-[4-(prop-2-enoylamino)butoxy]benzoate Openeye Name: 4-(prop-2-enoylamino)butyl 3-nitro-2-[4-(prop-2-enoylamino)butoxy]benzoate CAS Name: 3-nitro-2-[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid 4-(1-oxoprop-2-enylamino)butyl ester IUPAC Name: 4-(prop-2-enoylamino)butyl 3-nitro-2-[4-(prop-2-enoylamino)butoxy]benzoate Traditional Name: 2-(4-acrylamidobutoxy)-3-nitro-benzoic acid 4-acrylamidobutyl ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCOC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCCCCNC(=O)C=C

Isomeric SMILES

C=CC(=O)NCCCCOC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCCCCNC(=O)C=C

InChI

InChI=1S/C21H27N3O7/c1-3-18(25)22-12-5-7-14-30-20-16(10-9-11-17(20)24(28)29)21(27)31-15-8-6-13-23-19(26)4-2/h3-4,9-11H,1-2,5-8,12-15H2,(H,22,25)(H,23,26)