2-chloranyl-N-(2-chloroethyl)-N-[(E)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]ethanamine

Systemtic Name: 2-chloranyl-N-(2-chloroethyl)-N-[(E)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]ethanamine Openeye Name: 2-chloro-N-(2-chloroethyl)-N-[(E)-[(E)-1-methyl-3-(5-nitro-2-furyl)prop-2-enylidene]amino]ethanamine CAS Name: 2-chloro-N-(2-chloroethyl)-N-[(E)-[(E)-4-(5-nitro-2-furanyl)but-3-en-2-ylidene]amino]ethanamine IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-[(E)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]ethanamine Traditional Name: bis(2-chloroethyl)-[(E)-[(E)-1-methyl-3-(5-nitro-2-furyl)prop-2-enylidene]amino]amine Formula: C12H15Cl2N3O3 MolecularWeight: 320.1718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN(CCCl)CCCl)C=CC1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\N(CCCl)CCCl)/C=C/C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C12H15Cl2N3O3/c1-10(15-16(8-6-13)9-7-14)2-3-11-4-5-12(20-11)17(18)19/h2-5H,6-9H2,1H3/b3-2+,15-10+